Manganese in PDB 6vbr: The Crystal Structure of the 2009 H1N1/California Pa Endonuclease Wild Type in Complex with SJ000988248

The structure of The Crystal Structure of the 2009 H1N1/California Pa Endonuclease Wild Type in Complex with SJ000988248, PDB code: 6vbr was solved by M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.86 / 2.75
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	90.79, 90.79, 134.118, 90, 90, 90
R / Rfree (%)	23.9 / 25.5

The binding sites of Manganese atom in the The Crystal Structure of the 2009 H1N1/California Pa Endonuclease Wild Type in Complex with SJ000988248 (pdb code 6vbr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The Crystal Structure of the 2009 H1N1/California Pa Endonuclease Wild Type in Complex with SJ000988248, PDB code: 6vbr:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Crystal Structure of the 2009 H1N1/California Pa Endonuclease Wild Type in Complex with SJ000988248


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Crystal Structure of the 2009 H1N1/California Pa Endonuclease Wild Type in Complex with SJ000988248 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:82.6 occ:1.00 OE2 A:GLU119 1.9 90.8 1.0 OD2 A:ASP108 2.0 89.0 1.0 O02 A:QVV204 2.2 97.2 1.0 O A:ILE120 2.2 86.9 1.0 O01 A:QVV204 2.3 68.3 1.0 NE2 A:HIS41 2.6 86.8 1.0 CG A:ASP108 2.8 87.2 1.0 CD A:GLU119 2.9 92.7 1.0 C02 A:QVV204 3.0 93.2 1.0 C01 A:QVV204 3.0 75.2 1.0 CE1 A:HIS41 3.0 86.8 1.0 OD1 A:ASP108 3.1 87.9 1.0 C A:ILE120 3.3 87.5 1.0 OE1 A:GLU119 3.4 93.9 1.0 N A:ILE120 3.5 86.7 1.0 MN A:MN202 3.6 85.9 1.0 CD2 A:HIS41 3.8 85.7 1.0 CA A:ILE120 3.9 86.3 1.0 CG A:GLU119 4.1 95.2 1.0 CB A:ASP108 4.2 84.3 1.0 ND1 A:HIS41 4.2 85.8 1.0 CB A:ILE120 4.3 83.4 1.0 N01 A:QVV204 4.3 91.8 1.0 C03 A:QVV204 4.3 87.8 1.0 O A:HOH306 4.4 87.5 1.0 N A:GLY121 4.4 93.4 1.0 C A:GLU119 4.5 92.6 1.0 CG A:HIS41 4.6 85.1 1.0 O03 A:QVV204 4.7 90.6 1.0 CA A:GLU119 4.8 93.1 1.0 CA A:GLY121 4.8 92.9 1.0 OE2 A:GLU80 4.9 91.2 1.0 CG2 A:ILE120 4.9 82.9 1.0

Manganese binding site 2 out of 2 in the The Crystal Structure of the 2009 H1N1/California Pa Endonuclease Wild Type in Complex with SJ000988248


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Crystal Structure of the 2009 H1N1/California Pa Endonuclease Wild Type in Complex with SJ000988248 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn202 b:85.9 occ:1.00 OD1 A:ASP108 1.9 87.9 1.0 O03 A:QVV204 2.2 90.6 1.0 O02 A:QVV204 2.2 97.2 1.0 O A:HOH302 2.2 89.2 1.0 OE2 A:GLU80 2.8 91.2 1.0 CD A:GLU80 3.0 90.2 1.0 CG A:ASP108 3.0 87.2 1.0 C04 A:QVV204 3.1 87.0 1.0 OE1 A:GLU80 3.1 88.8 1.0 C02 A:QVV204 3.2 93.2 1.0 OD2 A:ASP108 3.5 89.0 1.0 C03 A:QVV204 3.6 87.8 1.0 MN A:MN201 3.6 82.6 1.0 CE1 A:HIS41 3.7 86.8 1.0 CG A:GLU80 3.9 85.6 1.0 O A:LEU106 3.9 92.5 1.0 CB A:GLU80 3.9 84.7 1.0 OE1 A:GLU119 4.1 93.9 1.0 O A:PRO107 4.1 89.5 1.0 CB A:ASP108 4.2 84.3 1.0 N02 A:QVV204 4.3 81.6 1.0 OE2 A:GLU119 4.3 90.8 1.0 CA A:ASP108 4.3 86.8 1.0 C A:PRO107 4.3 94.2 1.0 N A:ASP108 4.4 95.5 1.0 C01 A:QVV204 4.4 75.2 1.0 NE2 A:HIS41 4.5 86.8 1.0 C05 A:QVV204 4.6 100.0 1.0 CD A:GLU119 4.7 92.7 1.0 ND1 A:HIS41 4.7 85.8 1.0 CA A:GLU80 4.8 84.1 1.0 O01 A:QVV204 4.8 68.3 1.0 C A:LEU106 4.9 95.8 1.0 N03 A:QVV204 4.9 88.3 1.0

M.G.Cuypers, P.J.Slavish, Z.Rankovic, S.W.White. The Crystal Structure of the 2009 H1N1 Pa Endonuclease Wild Type in Complex with SJ000988248 To Be Published.